N-[(1-methyl-3-nitropyrazol-5-yl)methyl]cyclopropanamine

C8H12N4O2 — CID 122171512

IUPACN-[(1-methyl-3-nitropyrazol-5-yl)methyl]cyclopropanamine
SMILESCn1nc([N+](=O)[O-])cc1CNC1CC1
InChIInChI=1S/C8H12N4O2/c1-11-7(5-9-6-2-3-6)4-8(10-11)12(13)14/h4,6,9H,2-3,5H2,1H3
InChIKeyYZZHTZBEDLYVMV-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.58
Rot. Bonds4

About N-[(1-methyl-3-nitropyrazol-5-yl)methyl]cyclopropanamine

N-[(1-methyl-3-nitropyrazol-5-yl)methyl]cyclopropanamine (PubChem CID 122171512) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-[(1-methyl-3-nitropyrazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-methyl-3-nitropyrazol-5-yl)methyl]cyclopropanamine
PubChem CID122171512
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC NameN-[(1-methyl-3-nitropyrazol-5-yl)methyl]cyclopropanamine
SMILESCn1nc([N+](=O)[O-])cc1CNC1CC1
InChIInChI=1S/C8H12N4O2/c1-11-7(5-9-6-2-3-6)4-8(10-11)12(13)14/h4,6,9H,2-3,5H2,1H3
InChIKeyYZZHTZBEDLYVMV-UHFFFAOYSA-N
XLogP0.58
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(1-methyl-3-nitropyrazol-5-yl)methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanamine
CID 131176759
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine
CID 165412148
1-methyl-3-nitropyrazol-5-amine
CID 14614016
N-[3-(4-nitroimidazol-1-yl)propyl]cyclopropanamine
CID 61387437
5-[(4-methoxyphenoxy)methyl]-1-methyl-3-nitropyrazole
CID 71833040
3-[(cyclopropylamino)methyl]-1-methylpyrazol-5-amine
CID 117215881
5-[(cyclopropylamino)methyl]-1-methyl-N-(1,2,4-triazin-3-yl)pyrrole-3-sulfonamide
CID 106081951
N-[(3-ethoxy-5-nitrophenyl)methyl]cyclopropanamine
CID 69079422
4-[(cyclopropylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one
CID 82443123
5-[(cyclopropylamino)methyl]-N-(2-methoxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide
CID 106079946
4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 62320335
ethane;1-methyl-N-[(3-methyl-2-nitrophenyl)methyl]piperidin-4-amine
CID 142061578

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-nitropyrazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-methyl-3-nitropyrazol-5-yl)methyl]cyclopropanamine (CID 122171512) is N-[(1-methyl-3-nitropyrazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-methyl-3-nitropyrazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-methyl-3-nitropyrazol-5-yl)methyl]cyclopropanamine is Cn1nc([N+](=O)[O-])cc1CNC1CC1.
What is the InChIKey of N-[(1-methyl-3-nitropyrazol-5-yl)methyl]cyclopropanamine?
The InChIKey is YZZHTZBEDLYVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-11-7(5-9-6-2-3-6)4-8(10-11)12(13)14/h4,6,9H,2-3,5H2,1H3.
What are the key properties of N-[(1-methyl-3-nitropyrazol-5-yl)methyl]cyclopropanamine?
N-[(1-methyl-3-nitropyrazol-5-yl)methyl]cyclopropanamine has a molecular weight of 196.21 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-nitropyrazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 122171512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).